N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide

C21H19F2N3O2 — CID 126788538

IUPACN-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)N(Cc1c(F)cccc1F)C1CC1
InChIInChI=1S/C21H19F2N3O2/c22-17-5-3-6-18(23)16(17)12-26(14-8-9-14)20(27)10-11-25-13-24-19-7-2-1-4-15(19)21(25)28/h1-7,13-14H,8-12H2
InChIKeyPFJVUJCEYSCRLI-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.26
Rot. Bonds6

About N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 126788538) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID126788538
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC NameN-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)N(Cc1c(F)cccc1F)C1CC1
InChIInChI=1S/C21H19F2N3O2/c22-17-5-3-6-18(23)16(17)12-26(14-8-9-14)20(27)10-11-25-13-24-19-7-2-1-4-15(19)21(25)28/h1-7,13-14H,8-12H2
InChIKeyPFJVUJCEYSCRLI-UHFFFAOYSA-N
XLogP3.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 38532450
N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51097011
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90610934
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 51278933
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
N-cyclopropyl-2-(4-oxoquinazolin-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 35753654
N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134058897
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119198315

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 126788538) is N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)N(Cc1c(F)cccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is PFJVUJCEYSCRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c22-17-5-3-6-18(23)16(17)12-26(14-8-9-14)20(27)10-11-25-13-24-19-7-2-1-4-15(19)21(25)28/h1-7,13-14H,8-12H2.
What are the key properties of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 383.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 126788538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).